CID 205314

1-methyl-4-(3,4,5-trimethoxybenzoylethyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CN1CCN(CC1)CCC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H26N2O4/c1-18-7-9-19(10-8-18)6-5-14(20)13-11-15(21-2)17(23-4)16(12-13)22-3/h11-12H,5-10H2,1-4H3
InChIKey
SZFHCFHZPHMKKZ-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.18927 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19655 177.8
[M+Na]+ 345.17849 189.1
[M+NH4]+ 340.22309 183.3
[M+K]+ 361.15243 183.5
[M-H]- 321.18199 179.3
[M+Na-2H]- 343.16394 181.9
[M]+ 322.18872 179.6
[M]- 322.18982 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.